[2-methyl-3-(2-oxidanylidene-2-phenoxy-ethyl)tridecan-2-yl]azanium bromide

Systemtic Name: [2-methyl-3-(2-oxidanylidene-2-phenoxy-ethyl)tridecan-2-yl]azanium bromide Openeye Name: [1,1-dimethyl-2-(2-oxo-2-phenoxy-ethyl)dodecyl]ammonium bromide CAS Name: [2-methyl-3-(2-oxo-2-phenoxyethyl)tridecan-2-yl]ammonium bromide IUPAC Name: [2-methyl-3-(2-oxo-2-phenoxyethyl)tridecan-2-yl]azanium bromide Traditional Name: [2-(2-keto-2-phenoxy-ethyl)-1,1-dimethyl-dodecyl]ammonium bromide Formula: C22H38BrNO2 MolecularWeight: 428.44662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CC(=O)OC1=CC=CC=C1)C(C)(C)[NH3+].[Br-]

Isomeric SMILES

CCCCCCCCCCC(CC(=O)OC1=CC=CC=C1)C(C)(C)[NH3+].[Br-]

InChI

InChI=1S/C22H37NO2.BrH/c1-4-5-6-7-8-9-10-12-15-19(22(2,3)23)18-21(24)25-20-16-13-11-14-17-20;/h11,13-14,16-17,19H,4-10,12,15,18,23H2,1-3H3;1H